N-(4-fluorophenyl)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetamide

C23H18FN3O2S — CID 2870409

IUPACN-(4-fluorophenyl)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
SMILESO=C(CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H18FN3O2S/c24-16-11-13-18(14-12-16)25-21(28)15-20-22(29)27(19-9-5-2-6-10-19)23(30-20)26-17-7-3-1-4-8-17/h1-14,20H,15H2,(H,25,28)/b26-23-
InChIKeyCMKQZXDAGIWUDM-RWEWTDSWSA-N
MW419.48 g/mol
LogP4.99
Rot. Bonds5

About N-(4-fluorophenyl)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetamide

N-(4-fluorophenyl)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetamide (PubChem CID 2870409) has the molecular formula C23H18FN3O2S and a molecular weight of 419.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
PubChem CID2870409
Molecular FormulaC23H18FN3O2S
Molecular Weight419.48 g/mol
Exact Mass419.11
IUPAC NameN-(4-fluorophenyl)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
SMILESO=C(CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(F)cc1
InChIInChI=1S/C23H18FN3O2S/c24-16-11-13-18(14-12-16)25-21(28)15-20-22(29)27(19-9-5-2-6-10-19)23(30-20)26-17-7-3-1-4-8-17/h1-14,20H,15H2,(H,25,28)/b26-23-
InChIKeyCMKQZXDAGIWUDM-RWEWTDSWSA-N
XLogP4.99
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-cycloheptylidenehydrazinyl)-4-oxo-1,3-thiazol-5-yl]-N-(2-fluorophenyl)acetamide
CID 135735433
2-(3-oxo-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-2-yl)-N-phenylacetamide
CID 661432
2-[(2E)-2-(cyclohexylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135403874
2-(2,5-Dioxo-1-m-tolyl-pyrrolidin-3-yl)-1,3-diphenyl-isothiourea
CID 2833596
2-[1-(3-Chloro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-1,3-diphenyl-isothiourea
CID 2833597
1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl N,N'-diethylimidothiocarbamate
CID 2840626
2-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2998505
2-[1-(4-Chloro-phenyl)-2,5-dioxo-pyrrolidin-3-yl]-1,3-diphenyl-isothiourea
CID 3101611
1-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (4,5-dihydro-thiazol-2-yl)-amide
CID 3155569
N-(2-fluorophenyl)-2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
CID 3441571
N-(2,4-difluorophenyl)-2-[2-(2-fluorophenyl)imino-3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 4518152
N-cyclohexyl-2-[3-methyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide
CID 5181726

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetamide (CID 2870409) is N-(4-fluorophenyl)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetamide is O=C(CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is CMKQZXDAGIWUDM-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H18FN3O2S/c24-16-11-13-18(14-12-16)25-21(28)15-20-22(29)27(19-9-5-2-6-10-19)23(30-20)26-17-7-3-1-4-8-17/h1-14,20H,15H2,(H,25,28)/b26-23-.
What are the key properties of N-(4-fluorophenyl)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetamide?
N-(4-fluorophenyl)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 419.48 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 2870409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).